2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

C12H23N5O — CID 106012861

IUPAC2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCCCOC(C)C
InChIInChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-10(3)8-15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyRIPRLVFGOLVLEX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.69
Rot. Bonds8

About 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (PubChem CID 106012861) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
PubChem CID106012861
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCCCOC(C)C
InChIInChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-10(3)8-15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyRIPRLVFGOLVLEX-UHFFFAOYSA-N
XLogP1.69
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (CID 106012861) is 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is Cc1cnc(NN)nc1NCCCCOC(C)C.
What is the InChIKey of 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The InChIKey is RIPRLVFGOLVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-10(3)8-15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 106012861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).